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NanoGromacs_Intro

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Overall Period: Updated 21 Nov, 2008
Users: 11
Jobs: 222
Avg. exec. time: 28 secs
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Citations: 0

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Version 1.4 - published on 21 Aug, 2008
Contributor(s) Dairui Chen, Jay Mashl, Nahil Sobh, Eric Jakobsson
University of Illinois, Urbana-Champaign
At a glance Implementation of the popular molecular dynamics software suite GROMACS
Description NanoGromacs is an interface for performing molecular dynamics (MD) simulations using Gromacs. Users can perform protein simulations by uploading their own structure file or running the 4 examples provided, and setting the run-time parameters. Snapshots of coordinates generated by the simulation can be visualized on the nanoHUB, and corresponding structure files can be downloaded and visualized locally, for example, with PyMOL. Several of the analysis programs from Gromacs are also provided.
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Gromacs

Credits

Biophysics & Computational Biology Group

University of Illinois at Urbana-Champaign

Cite this work

If you reference this work in a publication, please cite as follows:

  • Chen, Dairui; Mashl, Jay; Sobh, Nahil; Jakobsson, Eric (2008), "NanoGromacs_Intro," doi: 10254/nanohub-r4540.4.

    BibTex | EndNote

In addition, we would appreciate it if you would add the following acknowledgment to your publication:

  • Simulation services for results presented here were provided by the Network for Computational Nanotechnology (NCN) at nanoHUB.org
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